# generated using pymatgen
data_Zr2Sc4Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11895764
_cell_length_b   8.99770815
_cell_length_c   11.18437489
_cell_angle_alpha   113.71856809
_cell_angle_beta   105.87558111
_cell_angle_gamma   90.00000044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Sc4Pb5
_chemical_formula_sum   'Zr4 Sc8 Pb10'
_cell_volume   538.00789364
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.55749551  0.30749551  0.61499002  1.0
  Zr  Zr1  1  0.44250449  0.69250449  0.38500998  1.0
  Zr  Zr2  1  0.94250449  0.69250449  0.38500998  1.0
  Zr  Zr3  1  0.05749551  0.30749551  0.61499002  1.0
  Sc  Sc4  1  0.43836794  0.67416392  0.87673488  1.0
  Sc  Sc5  1  0.56163206  0.32583608  0.12326512  1.0
  Sc  Sc6  1  0.93836794  0.20257095  0.87673488  1.0
  Sc  Sc7  1  0.06163206  0.79742905  0.12326512  1.0
  Sc  Sc8  1  0.14482034  0.25918469  0.28964169  1.0
  Sc  Sc9  1  0.85517966  0.74081531  0.71035831  1.0
  Sc  Sc10  1  0.64482034  0.03045800  0.28964169  1.0
  Sc  Sc11  1  0.35517966  0.96954200  0.71035831  1.0
  Pb  Pb12  1  0.29385402  0.59924906  0.58770705  1.0
  Pb  Pb13  1  0.70614598  0.40075094  0.41229295  1.0
  Pb  Pb14  1  0.79385402  0.98845799  0.58770705  1.0
  Pb  Pb15  1  0.20614598  0.01154201  0.41229295  1.0
  Pb  Pb16  1  0.25000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.75000000  0.00000000  0.00000000  1.0
  Pb  Pb18  1  0.07197150  0.46689302  0.14394300  1.0
  Pb  Pb19  1  0.92802850  0.53310698  0.85605700  1.0
  Pb  Pb20  1  0.57197150  0.67704998  0.14394300  1.0
  Pb  Pb21  1  0.42802850  0.32295002  0.85605700  1.0